@TOME V2.3
(Mar 2018)
Ref.
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : B0VPJ6: (2017-11-21 )
MRKPMIDSKAVVQAHNLFMTFKAENKKSADISAIVDLNMQIKKGELTALVGPDGAGKTTLLRLIAGLYKASSGSLHVLGLDIEKHPQVVQDRISYMPQRFGLYEDLSVQENLNLYADLHGVPKNVRNQRFKRLLEITDLTQFTQRLAGQLSGGMKQKLGLACTLVRSPELLLLDEPSVGVDPLSRRDLWIIIEQLVQEENLSVIISTAYMDEAEKCAYVYIMHEGKILRQGSPEQLKALVHEQTWQIKPSEQIKPRIVQAQLLGNSGEIIDAVPRGEQVNFISRQKELSTNILPLGLVANRRPPELEDAFMMLLQQNQKQQISISQQTFRSEQNNNSQSDQAVIVVKDLVRTFGDFTAVANTSFTVQRGEIFGLLGPNGAGKTTTFRMLCGLLPASSGYLEVAGKNLRTARAEARAKVGYVSQKFALYSNLTVLENLKFFGGAYGLSGKKLDQQIDKALQQYDLKPQIKSGDLPVGYKQRLSMAAALLHEPEILFLDEPTSGIDPLARHSFWYSIGKLANQGITIIITTHFMEEAEYCDRIAIQDAGKLLALGSPQQVRELASKDKHIVDMNEAFIAIVEQARALRHAG
Atome Classification :
(25 SA)
.........10........20........30........40........50........60........70........80..-......90........100.......110.......120.--...-...130.....--..140---------.-.-.......150.......160.......170.......180.......190.......200.......210...-..-..220......-.-230.......240.......250.......260..-.....270.....-.--.280.-----.....----------------------------.-.290-------.------.------------------.-----------------------.-------------------------------------------.-----....-300-.--..--------------------------------------------------------....----.--310--------------------------.-----------.-----------..-.------------------------------------------------------------..----.--------------------------320---------.-----------------.-----------------.-------------------------.---------------------------------.-------..----.---------------.330-------.------------------.------.------.------.....340.......350...---....360.......370.......380.......390......--.400.......-410.......-420....---------------------------------..---------.-----------------------430.....-.-.440-----.-------..--..-...--------------------------.--------------------------450.---------.-----.....460.--...-----------.----..470.--........480.......490.......500.......510.......520-........530...-.-.-..540.......550.......560......--.570.......580.......
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MRKPMI
D
S
K
A
V
V
Q
A
H
N
L
F
M
T
F
KAENKKSAD
I
S
A
I
V
D
L
N
M
Q
I
KKG
E
L
T
A
L
VGPDGA
G
K
T
T
L
L
R
L
I
A
G
L
Y
KASSG
S
L
H
V
L
G
LDIE-K
H
P
Q
V
V
Q
D
R
I
S
Y
M
P
Q
R
FGLYEDL
S
V
Q
ENL
N
L
Y
A
DLHGV
P
K
--
N
V
R
-
N
Q
R
F
K
R
L
L
E
I
T
--
D
L
T
-----------
Q
-
F
-
T
Q
R
L
A
G
Q
LSG
G
M
K
Q
KL
G
L
A
C
T
LVRSP
E
L
L
L
L
DEPSVGVDPLSRR
D
L
W
I
I
I
E
Q
L
V
Q
EEN
L
S
V
I
I
S
T
A
Y
MDEAEK-
C
A
-
Y
V
Y
I
M
HE
G
K
I
L-R-QG
S
P
E
Q
L
K
A
L
V
H
EQTWQIKPSEQIK
P
R
I
V
Q
A
Q
LLG-NSG
E
I
I
DAVPRGE-Q--
V
N
F
-
I
-----
S
R
Q
K
E----------------------------L-ST---------N------I------------------
L
-----------------------
P
-------------------------------------------
L
-----GLVA-NR--R--PP--------------------------------------------------------
E
L
E
D
----
A
--
F
M
---------------------------
M
-----------
L
-----------
L
Q-Q------------------------------------------------------------NQ----K--------------------------Q-----------Q-----------------I-----------------
S
-------------------------
I
---------------------------------
S
-------
Q
Q
----
T
---------------
F
R---------S------------------E------Q------N------NNSQS
D
Q
A
V
I
V
V
K
D
L
V
R
T
FGD---
F
T
AVAN
T
S
F
T
V
QR
G
E
I
F
G
L
LGPNGAGK
T
T
T
F
R
M
L
C
G
LLPASSG--
Y
L
E
VAGKNL
R
T
-
A
R
A
E
A
R
AKVG-
Y
V
S
Q
K
F
A
---------------------------------
L
Y---------S-----------------------N
L
T
V
L
EN
L
-
K
-
F
F-------G-------GA--YG-LSG--------------------------
K
--------------------------
K
L
D
Q
---------
Q
-----
I
D
K
A
L
Q
QYD--LKP-----------Q----IKS--G--DLP
V
G
Y
K
Q
R
L
S
M
A
A
A
L
LHEP
E
I
L
F
L
DEPTSGI
D
P
L
A
R
H
S
F
W
Y
S
I
G
K
LAN-Q-
G
I
T
I
I
I
T
T
H
F
M
E
E
A
-
E
-
Y
-
C
D
R
I
A
IQDAG
K
L
LALG
S
P
Q
Q
V
R
E
L
A
SKDK
H
I
--
V
D
M
N
E
A
F
I
A
I
V
E
Q
A
R
A
L
RHAG
78
HHSearch
77.32
20%
11
- C3 -
-
5KO2
-
MDR1A_MOUSE
A:
[385-1226]
--------
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
S
R
----
K
E
V
Q
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
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Q
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P
V
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F
A
T
-
T
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A
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R
Y
G
R
E
D
V
T
--
M
-------
D
E
I
E
K
A
V
K
E
A
--
N
A
Y
D
F
I
M
K
LPHQFD
T
-
L
-
V
G
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R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
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L
V
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L
L
L
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A
V
V
Q
A
A
L
D
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A
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--
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R
T
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L
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R
N
-
A
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G
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I
V
-
E
-
Q
G
N
H
D
E
L
M
R
E
K
G
I
Y
-
F
K
L
V
M
T
Q
T
-------------------
D
V
P
P
A
S
F
-
W
R
I
L
K
L
-
N
STE
W
P
Y
F
V
V
G
I
F
C
A
I
I
N
G
G
L
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P
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F
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V
V
G
V
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G
P
P
E
---------
T
Q
R
Q
N
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N
L
F
S
L
L
F
L
I
L
G
I
I
S
F
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T
F
F
L
Q
-----------------------
G
F
T
F
G
K
A
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
-------------------
Q
-----
D
V
S
W
-
F
D
DP
K
NT
T
G
A
L
T
T
R
L
A
NDAA---------------------------------------------
Q
V
K
G
----
A
--
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
G
I
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L
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Y
G
W
Q
L
T
L
L
L
L
A
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V
P
I
I
A
I
-----------
A
G
-
V
V
E
M
K
M
L
S
G
Q
A
L
K
D
K
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L
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A
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A
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E
N
F
R
T
V
V
S
L
T----------------------
R
E
----
Q
--------------------------
K
F
E
T
M
Y
A
Q
S
L
Q
I
P
Y
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-----------------
Q
A
M
M
Y
F
S
Y
A
A
C
F
R
F
G
A
Y
L
V
T
Q
QLMT
F
E
N
V
L
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
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S
F
APD
Y
A
K
A
T
V
S
A
S
-------
H
I
I
R
I
I
E
---------------
K
T
---------
P
------------------
E
IDSYST
Q
------
G
------
L
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
RPS
I
P
V
L
Q
G
L
S
L
E
V
K
K
G
Q
T
L
A
L
V
G
S
S
G
C
G
K
S
T
V
V
Q
L
L
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R
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Y
D
P
M
A
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--
S
V
F
L
D
G
K
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I
K
Q
L
N
V
Q
W
L
R
A
Q
L
G
-
I
V
S
Q
E
P
I
---------------------------------
L
F
---------------------------------
D
C
S
I
A
E
N
I
-
A
-
Y
G
-------
D
-------
N
S
--
R
V
-
V
S
Y
--------------------------
E
--------------------------
E
I
V
R
---------
A
A
K
E
A
N
I
H
Q
F
I
D
S
L
P
DK
Y
N
T
R
----------
V
G
---
D
K
G
--
T
--
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
Q
P
H
I
L
L
L
D
Q
A
T
S
A
L
D
T
E
S
E
K
V
V
Q
E
A
L
D
K
A
R
--
E
-
G
R
T
C
I
V
I
A
H
R
L
S
T
I
-
Q
-
N
-
A
D
L
I
V
V
I
Q
N
G
K
V
K
E
H
G
T
H
Q
Q
L
L
A
Q
K
-----------------------------
79
HHSearch
76.61
20%
4
- C3 -
-
5KO2
-
MDR1A_MOUSE
B:
[385-1227]
--------
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
S
R
----
K
E
V
Q
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
-
T
I
A
E
N
I
R
Y
G
R
E
D
V
T
--
M
-------
D
E
I
E
K
A
V
K
E
A
--
N
A
Y
DFIMKLPHQFD
T
-
L
-
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
Q
A
T
S
A
L
D
T
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S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
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T
V
R
N
-
A
D
-
V
I
A
G
F
D
G
G
V
I
V
-
E
-
Q
G
N
H
D
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L
M
R
E
K
G
I
Y
-
F
K
L
V
M
T
Q
T
--------------------
D
V
P
P
A
S
F
W
RI
L
K
L
N
S
TEWP-
Y
F
V
V
G
IFCAIINGGLQPAFSVIFSKVVGVFTNG
G
P
P
E
---------
T
------
Q
R-----------------
Q
NSNLFSLLFLILGIISFITFFLQ
G
FTFGKAGEILTKRLRYMVFKSMLR-------------------
Q
-----
D
V
S
W
-
F
D
DP
K
NT
T
G
ALTTRLANDAA---------------------------------------------
Q
V
K
G
----
A
--
T
G
SRLAVIFQNIANLGTGIIISLIYGWQL
T
-----------
L
LLLAIVPIIAI
A
G
-
V
VEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLT----------------------
R
E
----
Q
--------------------------
K
FETMYAQSLQI
P
-----------------
Y
RNAMKKAHVFGITFSFT
Q
AMMYFSYAACFRFGAYLVTQQLMTF
E
NVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSA
S
-------
H
I
IRII
E
---------------
K
T
---------
P
------------------
E
------
I
DSYSTQ
G
------
L
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
RPS
I
P
V
L
Q
G
L
S
L
E
V
K
K
G
Q
T
L
A
L
V
G
S
S
G
C
G
K
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V
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L
L
E
R
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Y
D
P
M
A
G
--
S
V
F
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E
I
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N
V
Q
W
L
R
A
Q
L
G
-
I
V
S
Q
E
P
I
---------------------------------
L
F
---------------------------------
D
C
S
I
A
E
N
I
-
A
-
Y
G
-------
D
-------
N
S
--
R
V
-
V
S
Y
--------------------------
E
--------------------------
E
I
V
R
---------
A
AKEAN
I
H
Q
F
I
D
S
L
P
DK
Y
N
T
R----------
V
G---
D
K
G
--
T
--
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
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H
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A
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K
V
V
Q
E
A
L
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K
A
R
--
E
-
G
R
T
C
I
V
I
A
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R
L
S
T
I
-
Q
-
N
-
A
D
L
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V
V
I
Q
N
G
K
V
K
E
H
G
T
H
Q
Q
L
L
A
Q
K
G
----------------------------
100
HHSearch
68.88
45%
-72
- C3 -
-
4YER
2
?
A:
[3-257]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
D
I
I
V
V
E
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L
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K
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F
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D
---
F
E
A
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I
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A
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K
T
T
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M
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--
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V
A
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D
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L
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-
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-
I
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F
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S
---------------------------------
L
D
---------
R
-----------------------
E
L
T
A
Y
E
N
M
-
Y
-
I
H
-------
G
-------
K
I
--
Y
G
-
Y
G
G
--------------------------
E
--------------------------
K
L
K
K
---------
R
-----
I
L
E
L
L
E
F
V
E
--
L
L
E
-----------
F
KD--
K
P
V
--
K
--
T
F
S
G
G
M
A
R
R
L
E
I
A
R
S
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L
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A
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M
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E
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I
S
K
M
K
K
E
H
-
N
M
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I
F
L
T
T
H
Y
M
D
E
A
-
E
Q
L
-
A
D
R
V
A
I
I
D
H
G
K
I
I
A
L
G
T
P
T
E
L
K
R
M
V
G
----------------------------
81
HHSearch
67.64
19%
-3
- C3 -
-
4F4C
2
PGP1_CAEEL
A:
[412-1306]
-------
I
K
G
D
I
T
V
E
N
V
H
F
T
Y
P
S
R
----
P
D
V
P
I
L
R
G
M
N
L
R
V
N
A
G
Q
T
V
A
L
V
G
S
S
G
C
G
K
S
T
I
I
S
L
L
L
R
Y
Y
D
V
L
K
G
K
I
T
I
D
G
V
D
V
R
D
I
N
L
E
F
L
R
K
N
V
A
V
V
S
Q
E
P
A
L
F
N
-
C
T
I
E
E
N
I
S
L
G
K
E
G
I
T
R
E
E
M
V
A
A
C
K
M
A
N
A
E
K
F
I
K
T
L
PN
G
Y
N
-----------
T
-
L
-
V
G
D
R
G
T
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
S
E
G
I
V
Q
Q
A
L
D
K
A
A
--
K
G
R
T
T
I
I
I
A
H
R
L
S
T
I
R
N
-
A
D
-
L
I
I
S
C
K
N
G
Q
V
V
-
E
-
V
G
D
H
R
A
L
M
A
Q
Q
G
L
-
Y
Y
D
L
V
T
A
Q
T
--
F
T
D
A
V
D
S
A
A
E
G----------------------------------------------------------------ER
I
G
K
D
A
L
S
R
------
L
------------------
K
-----------------------
Q
E
L
E
ENNAQKTN
L
F
E
I
L
Y
H
A
RPH
A
L
S
L
F
I
G
M
S
T
A
T
I
G
G
F
I
Y
P
T
Y
S
V
F
F
T
S
F
M
N
V
F
A
G
--
N
--
P
A
DFL
S
Q
G
H
F
W
A
L
M
F
L
V
L
A
A
A
Q
G
I
C
S
F
L
M
T
F
F
M
G
I
A
S
E
S
L
T
R
D
L
R
N
K
L
F
R
N
V
L
S
QHIG
F
F
D
S
PQNA
S
G
K
I
S
---------------------------
T
-----------
R
-----------
L
A
T
D
V
P
N
L
R
T
A
I
D
F
R
F
S
T
V
I
T
T
L
V
S
M
V
A
G
I
G
L
A
F
F
Y
G
W
Q
M
A
L
L
I
I
A
I
L
P
I
V
A
F
G
Q
Y
L
R
G
RRFTG
K
N
VKSA
S
E
F
A
D
S
G
K
I
A
I
E
A
I
E
N
V
R
T
V
Q
A
L
AR
E
D
T
-----------
F
Y
E
N
F
C
E
K
L
D
I
-------
P
H
----------------
K
E
A
I
K
E
A
F
I
Q
G
L
S
Y
------------
G
C
A
S
S
V
L
Y
L
L
N
T
C
A
Y
R
M
G
L
---------------
A
L
I
I
TDPP
T
M
----
Q
P
M
R
V
L
R
V
M
Y
A
I
T
I
S
T
S
T
LGFAT
S
Y
F
P
E
Y
A
K
A
T
F
A
G
G
I
I
F
G
M
L
R
KI
S
------
K
------
I
DSLSLA
G
E
K
K
K
L
Y
G
K
V
I
F
K
N
V
R
F
A
Y
P
E
RPE
I
E
I
L
K
G
L
S
F
S
V
E
P
G
Q
T
L
A
L
V
G
P
S
G
C
G
K
S
T
V
V
A
L
L
E
R
F
Y
D
T
L
G
G
--
E
I
F
I
D
G
S
E
I
K
T
L
N
P
E
H
T
R
S
Q
I
A
-
I
V
S
Q
E
P
T
---------------------------------
L
F
---------------------------------
D
C
S
I
A
E
N
I
-
I
-
Y
G
-------
L
-------
D
P
--
S
S
-
V
T
M
--------------------------
A
---------------------------------------
Q
-----
V
E
E
A
A
R
L
A
N
--
I
H
N
F
I
A
E
LPEGFET
R
VG--
D
R
G
--
T
--
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
K
V
V
Q
E
A
L
D
R
A
R
--
E
-
G
R
T
C
I
V
I
A
H
R
L
N
T
V
-
M
-
N
-
A
D
C
I
A
V
V
S
N
G
T
I
I
E
K
G
T
H
T
Q
L
M
S
E
K
-----------------------------
89
HHSearch
65.01
20%
-32
- C1 -
-
2IW3
1
EF3A_YEAST
A:
[433-978]
----------
G
E
D
L
C
N
C
E
F
S
L
A
Y
-----
G
A
K
I
L
L
N
K
T
Q
L
R
L
K
R
A
R
R
Y
G
I
C
G
P
N
G
C
G
K
S
T
L
M
R
A
I
A
N
G
Q
V
D
--
G
F
P
T
Q
E
-----------
E
C
R
T
V
Y
V
E
H
D
I
D
G
T
H
S
D
T
S
V
L
D
F
V
F
E
S
G
V
-----
G
----
T
-
K
E
A
I
K
D
K
L
I
E
F
--
G
F
T
-----------
D
-
E
M
I
A
M
P
I
S
A
L
S
G
G
W
K
M
K
L
A
L
A
R
A
V
L
R
N
A
D
I
L
L
L
D
E
P
T
N
H
L
D
T
V
N
V
A
W
L
V
N
Y
L
N
T
----
C
G
I
T
S
I
T
I
S
H
D
S
V
F
L
D
N
V
C
E
-
Y
I
I
N
Y
E
G
L
K
L
R
-
K
Y
K
G
N
F
T
E
F
V
K
K
C
P
A
A
----------------
K
A
Y
E
----
E
----
L
S
N
T
D
L
-
E
--
F
K
--
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------
P
--
E
P
--------------------------------------------------------
G
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
------
E
------
G
V
K
T
K
Q
K
A
I
V
K
V
T
N
M
E
F
Q
Y
P
G
TS-
K
P
Q
I
T
D
I
N
F
Q
C
S
L
S
S
R
I
A
V
I
G
P
N
G
A
G
K
S
T
L
I
N
V
L
T
G
E
L
L
P
T
S
G
--
E
V
Y
T
H
E
N
C
R
I
A
Y
I
K
Q
H
A
F
A
H
I
E
S
H
L
D
K
T
P
S
E
Y
I
Q
W
R
F
Q
TGEDRETMDRANRQINEND
A
E
A
M
N
K
I
F
K
I
EG
T
P
R
R
I
A
GIH
S
R
R
K
F
KN
T
Y
E
Y
E
C
-------
S
F
L
L
G
E
N
I
-
G
-
M
K
-------
S
E
R
W
V
P
M
M
S
V
D-
N
A
W
I
P
R
--------------------------
G
ELVESH
S
K
M
V
A
E
V
D
M
K
E
A
L
A
S
GQFRP
L
T
R
K
---------
E
-----
I
E
E
H
C
S
M
L
G
--
L
D
P
-----------
E
I
V
S
H
S
R
I
--
R
--
G
L
S
G
G
Q
K
V
K
L
V
L
A
A
G
T
W
Q
R
P
H
L
I
V
L
D
E
P
T
N
Y
L
D
R
D
S
L
G
A
L
S
K
A
L
K
E
F
-----
E
G
G
V
I
I
I
T
H
S
A
E
F
T
-
K
N
L
-
T
E
E
V
W
A
V
K
D
G
R
M
T
P
----------------------------------------
95
HHSearch
62.11
20%
-27
- C2 -
-
2IX8
-
A:
[1427-1975]
----------
G
E
D
L
C
N
C
E
F
S
L
A
Y
-----
G
A
K
I
L
L
N
K
T
Q
L
R
L
K
R
A
R
R
Y
G
I
C
G
P
N
G
C
G
K
S
T
L
M
R
A
I
A
N
G
Q
V
D
--
G
F
P
T
Q
E
-----------
E
C
R
T
V
Y
V
E
H
D
I
D
G
T
H
S
D
T
S
V
L
D
F
V
F
E
S
G
V
-----
G
----
T
-
K
E
A
I
K
D
K
L
I
E
F
--
G
F
T
-----------
D
E
M
-
I
A
M
P
I
S
A
L
S
G
G
W
K
M
K
L
A
L
A
R
A
V
L
R
N
A
D
I
L
L
L
D
E
P
T
N
H
L
D
T
V
N
V
A
W
L
V
N
Y
L
N
T
----
C
G
I
T
S
I
T
I
S
H
D
S
V
F
L
D
N
V
C
E
-
Y
I
I
N
Y
E
G
L
K
L
R
K
Y
-
K
G
N
F
T
E
F
V
K
K
C
P
A
A
--------
K
-----
A
Y
E
E
-----------
L
--
S
N
T
-
D
--
L
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
F
P
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
---------
G
------------------
Y
------
L
------
E
------
G
V
K
T
K
Q
K
A
I
V
K
V
T
N
M
E
F
Q
Y
P
G
TS-
K
P
Q
I
T
D
I
N
F
Q
C
S
L
S
S
R
I
A
V
I
G
P
N
G
A
G
K
S
T
L
I
N
V
L
T
G
E
L
L
P
T
S
G
--
E
V
Y
T
H
E
N
C
R
I
A
Y
I
K
Q
H
A
F
A
H
I
E
S
H
L
D
K
T
P
S
E
Y
I
Q
W
R
F
Q
TGDRETMDRANRQINENDAEAMN
K
-
I
F
K
I
-------
E
G
T
P
R
R
I
AGI
H
S
R
R
K
F
KN
T
Y
E
Y
E
C
S
F
L
L
G
E
N
I
-
G
-
M
K
SE
R
W
V
P
M
M
-------
S
V
D
N
A
W
-
I
P
R
GELVESH
S
K
M
V
A
E
V
D
M
K
E
ALASGQFR
P
--------------------------
L
T
R
K
---------
E
-----
I
E
E
H
C
S
M
L
G
--
L
D
P
-----------
E
I
V
S
H
S
R
I
--
R
--
G
L
S
G
G
Q
K
V
K
L
V
L
A
A
G
T
W
Q
R
P
H
L
I
V
L
D
E
P
T
N
Y
L
D
R
D
S
L
G
A
L
S
K
A
L
K
E
F
-----
E
G
G
V
I
I
I
T
H
S
A
E
F
T
-
K
N
L
-
T
E
E
V
W
A
V
K
D
G
R
M
T
P
S
G
H
-------------------------------------
48
PsiBlast_CBE
61.91
34%
-133
- C3 -
-
2AWN
1
MALK_ECOLI
B:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
60.74
34%
-130
- C3 -
-
3PUY
2
MALK_ECOLI
A:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
60.60
34%
-130
- C3 -
-
3PUV
2
MALK_ECOLI
A:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
60.52
34%
-131
- C3 -
-
3RLF
2
MALK_ECOLI
A:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
60.49
34%
-129
- C3 -
-
4KI0
3
MALK_ECOLI
A:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
60.44
34%
-129
- C3 -
-
3PUX
2
MALK_ECOLI
A:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
58.72
34%
-123
- C3 -
-
2AWO
1
MALK_ECOLI
B:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
58.72
34%
-127
- C3 -
-
3PUW
2
MALK_ECOLI
A:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
58.70
34%
-126
- C3 -
-
3PUW
2
MALK_ECOLI
B:
[21-231]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
58.52
33%
-127
- C3 -
-
2R6G
2
MALK_ECOLI (first)
A:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
Q
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
58.02
34%
-123
- C3 -
-
3PUY
2
MALK_ECOLI
B:
[21-231]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
58.02
34%
-128
- C3 -
-
3RLF
2
MALK_ECOLI
B:
[21-222]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
57.65
35%
-73
- C3 -
-
1VPL
-
?
A:
[16-235]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
V
V
K
D
L
R
K
R
I
G
K
---
K
E
I
L
K
G
I
S
F
E
I
E
E
G
E
I
F
G
L
I
G
P
N
G
A
G
K
T
T
T
L
R
I
I
S
T
L
I
K
P
S
S
G
--
I
V
T
V
F
G
K
N
V
V
E
-
E
P
H
E
V
R
K
L
I
S
-
Y
L
P
E
E
A
G
---------------------------------
A
Y
---------
R
-----------------------
N
M
Q
G
I
E
Y
L
-
R
-
F
V
-------
A
-------
G
F
--
Y
A
-
S
S
S
--------------------------
S
--------------------------
E
I
E
E
---------
M
-----
V
E
R
A
T
E
I
A
G
--
L
G
E
-----------
K
----
I
K
D
RV
S
--
T
Y
S
K
G
M
V
R
K
L
L
I
A
R
A
L
M
V
N
P
R
L
A
I
L
D
E
P
T
S
G
L
D
V
L
N
A
R
E
V
R
K
I
L
K
Q
A
S
Q
-
E
-
G
L
T
I
L
V
S
S
H
N
M
L
E
V
-
E
-
F
L
C
D
R
I
A
L
I
H
N
G
T
I
V
E
T
G
T
V
E
E
L
K
E
-------------------------------
35
PsiBlast_CBE
56.88
34%
-137
- C3 -
-
3PUZ
1
MALK_ECOLI
B:
[21-221]
-----------------------------------
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
-
D
T
P
P
A
-
E
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
L
K
L
A
G
A
K
K
--
E
V
I
-
N
Q
R
V
N
Q
V
A
E
V
L
--
Q
L
A
-----------
H
-
L
-
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
-
L
A
D
K
I
V
V
L
D
A
G
R
V
A
-
Q
-
V
G
K
P
L
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
48.52
31%
-19
- C3 -
-
4P32
1
LPTB_ECOLI
B:
[1-230]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
T
L
T
A
K
N
L
A
K
A
Y
K
G
---
R
R
V
V
E
D
V
S
L
T
V
N
S
G
E
I
V
G
L
L
G
P
N
G
A
G
K
T
T
T
F
Y
M
V
V
G
I
V
P
R
D
A
G
NI
I
I
D
D
D
D
I
S
L
L
P
-
L
H
A
R
A
R
R
G
I
G
-
Y
L
P
Q
E
A
S
---------------------------------
I
F
---------
R
-----------------------
R
L
S
V
Y
D
N
L
M
A
-
V
L
-------
Q
-------
I
R
--
D
D
-
L
S
A
--------------------------
E
--------------------------
Q
R
E
D
---------
R
-----
A
N
E
L
M
E
E
F
H
--
I
E
H
-----------
L
----
R
D
S
MG
Q
--
S
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
A
N
P
K
F
I
L
L
D
E
P
F
A
G
V
D
P
I
S
V
I
D
I
K
R
I
I
E
H
L
R
D
-
S
-
G
L
G
V
L
I
T
D
H
N
V
R
E
T
L
A
-
V
-
C
E
R
A
Y
I
V
S
Q
G
H
L
I
A
H
G
T
P
T
E
I
----
L
Q
D
E
H
V
K----------------------
7
PsiBlast_PDB
48.15
31%
-25
- C3 -
-
4P32
1
LPTB_ECOLI
A:
[1-234]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
T
L
T
A
K
N
L
A
K
A
Y
K
G
---
R
R
V
V
E
D
V
S
L
T
V
N
S
G
E
I
V
G
L
L
G
P
N
G
A
G
K
T
T
T
F
Y
M
V
V
G
I
V
P
R
D
A
G
N
I
I
I
D
D
D
D
I
S
L
L
P
-
L
H
A
R
A
R
R
G
I
G
-
Y
L
P
Q
E
A
S
---------------------------------
I
F
---------
R
-----------------------
R
L
S
V
Y
D
N
L
M
A
-
V
L
-------
Q
-------
I
R
--
D
D
-
L
S
A
--------------------------
E
--------------------------
Q
R
E
D
---------
R
-----
A
N
E
L
M
E
E
F
H
--
I
E
H
-----------
L
----
R
D
S
MG
Q
--
S
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
A
N
P
K
F
I
L
L
D
E
P
F
A
G
V
D
P
I
S
V
I
D
I
K
R
I
I
E
H
L
R
D
-
S
-
G
L
G
V
L
I
T
D
H
N
V
R
E
T
L
A
-
V
-
C
E
R
A
Y
I
V
S
Q
G
H
L
I
A
H
G
T
P
T
E
I
----
L
Q
D
E
H
V
K
R
V
Y
L
------------------
24
PsiBlast_CBE
47.24
31%
-15
- C3 -
-
4QC2
1
?
B:
[2-236]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
T
L
T
A
K
N
L
A
K
A
Y
K
G
---
R
R
V
V
E
D
V
S
L
T
V
N
S
G
E
I
V
G
L
L
G
P
N
G
A
G
K
T
T
T
F
Y
M
V
V
G
I
V
P
R
D
A
G
NI
I
I
D
D
D
D
I
S
L
L
P
-
L
H
A
R
A
R
R
G
I
G
-
Y
L
P
Q
E
A
S
---------------------------------
I
F
---------
R
-----------------------
R
L
S
V
Y
D
N
L
M
A
-
V
L
-------
Q
-------
I
R
--
D
D
-
L
S
A
--------------------------
E
--------------------------
Q
R
E
D
---------
R
-----
A
N
E
L
M
E
E
F
H
--
I
E
H
-----------
L
----
R
D
S
MG
Q
--
S
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
A
N
P
K
F
I
L
L
D
E
P
F
A
G
V
D
P
I
S
V
I
D
I
K
R
I
I
E
H
L
R
D
-
S
-
G
L
G
V
L
I
T
D
H
N
V
R
E
T
L
A
-
V
-
C
E
R
A
Y
I
V
S
Q
G
H
L
I
A
H
G
T
P
T
E
I
----
L
Q
D
E
H
V
KR
V
Y
L
G
-----------------
11
PsiBlast_PDB
46.96
30%
-25
- C3 -
-
4P31
1
LPTB_ECOLI
A:
[1-234]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
T
L
T
A
K
N
L
A
K
A
Y
K
G
---
R
R
V
V
E
D
V
S
L
T
V
N
S
G
E
I
V
G
L
L
G
P
N
G
A
G
K
T
T
T
F
Y
M
V
V
G
I
V
P
R
D
A
G
N
I
I
I
D
D
D
D
I
S
L
L
P
-
L
H
A
R
A
R
R
G
I
G
-
Y
L
P
Q
E
A
S
---------------------------------
I
F
---------
R
-----------------------
R
L
S
V
Y
D
N
L
-
M
A
V
L
-------
Q
-------
I
R
--
D
D
-
L
S
A
--------------------------
E
--------------------------
Q
R
E
D
---------
R
-----
A
N
E
L
M
E
E
F
H
--
I
E
H
-----------
L
----
R
D
S
--
M
GQ
S
L
S
G
G
E
R
R
R
V
E
I
A
R
A
L
A
A
N
P
K
F
I
L
L
D
E
P
F
A
G
V
D
P
I
S
V
I
D
I
K
R
I
I
E
H
L
R
D
-
S
-
G
L
G
V
L
I
T
D
H
N
V
R
E
T
L
A
-
V
-
C
E
R
A
Y
I
V
S
Q
G
H
L
I
A
H
G
T
P
T
E
I
----
L
Q
D
E
H
V
K
R
V
Y
L
------------------
8
PsiBlast_PDB
41.84
33%
-35
- C3 -
-
1VCI
1
?
A:
[7-236]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
K
M
V
E
V
K
L
E
N
L
T
K
R
F
G
N
---
F
T
A
V
N
K
L
N
L
T
I
K
D
G
E
F
L
V
L
L
G
P
S
G
C
G
K
T
T
T
L
R
M
I
A
G
L
E
E
P
T
E
G
--
R
I
Y
F
G
D
R
D
V
T
Y
-
L
P
P
K
D
R
-
N
I
S
-
M
V
F
Q
-----------------------------------------------------------------------
H
M
T
V
Y
E
N
I
-
A
-
F
P
-------
L
-----------
K
K
-
F
P
K
--------------------------
D
--------------------------
E
I
D
K
R
V
R
W
A
A
E
L
L
Q
-----
I
E
E
L
L
N
R
Y
-----
P
-----------
A
----
Q
L
S
--
G
------
G
Q
R
Q
R
V
A
V
A
R
A
I
V
V
E
P
D
V
L
L
M
D
E
P
L
S
N
L
D
A
K
L
R
V
A
M
R
A
E
I
K
K
L
Q
Q
-
K
L
K
V
T
T
I
Y
V
T
H
D
Q
V
E
A
M
T
-
M
-
G
D
R
I
A
V
M
N
R
G
Q
L
L
Q
I
G
S
P
T
E
V
---------------------------------